Triethoxy(3-isocyanatopropyl)silane
3-(TRIETHOXYSILYL)PROPYL ISOCYANATE · Isocyanatopropyltriethoxysilane · KH-907 · TRIETHOXY(3-ISOCYANATOPROPYL)SILANE · ICPTES · 3-isocyanatepropyltriethoxysilane · i7840 · y9030
Identifiers & Physical Properties
| CAS No. | 24801-88-5 |
|---|---|
| Molecular formula | C10H21NO4Si |
| Average molar mass | 247.36 g/mol |
| Monoisotopic mass | 247.12398468 g/mol |
| SMILES | CCO[Si](CCCN=C=O)(OCC)OCC |
| InChIKey | FRGPKMWIYVTFIQ-UHFFFAOYSA-N |
| PubChem CID | 90613 |
| ChEMBL | CHEMBL3187620 |
| EC No. | 246-467-6 |
| DTXSID | DTXSID4038847 |
Chemical & Physical Properties
| Topological polar surface area | 57.1 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 10 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 202 |
| Chemical classes | Metals -> Metalloid Compounds (Silicon) |
| Physical Description | Liquid[Sigma-Aldrich MSDS] |
| Melting point | <0°C |
| Boiling point | 283 °C(lit.) |
| Density | 0.999 g/mL at 25 °C(lit.) |
| Vapor pressure | 0-7910Pa at 20-25℃ |
| Refractive index | n20/D 1.42(lit.) |
| Flash point | 171 °F |
| Storage conditions | 2-8°C |
| Physical state | Liquid |
| Specific gravity | 0.999 |
| Color | Clear colorless to yellow |
| Viscosity | 1.6mm2/s |
| Solubility | Hydrolyzes in water. |
| Hydrolytic Sensitivity | 7: reacts slowly with moisture/water |
| Sensitivity | Moisture Sensitive |
| BRN | 4404652 |
| InChI | 1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3 |
| InChIKey | FRGPKMWIYVTFIQ-UHFFFAOYSA-N |
| SMILES | CCO[Si](CCCN=C=O)(OCC)OCC |
| LogP (partition coefficient) | -4--0.3 at 20℃ |
| CAS DataBase Reference | 24801-88-5(CAS DataBase Reference) |
| FDA UNII | 9BR6002P6E |
| EPA Substance Registry System | Silane, triethoxy(3-isocyanatopropyl)- (24801-88-5) |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS06,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302+H312-H314-H317-H330-H334 |
| GHS precautionary statements | P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | T+ |
| Risk statements (R) | 21/22-26-34-42 |
| Safety statements (S) | 23-26-28-36/37/39-45 |
| UN transport number | UN 3390 6.1/PG 1 |
| Water hazard class (WGK) | 3 |
| RTECS number | VV6691000 |
| F | 10-19-21 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 1 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1 |
| Packing group | III |
| Customs code | 29319090 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Toxicity | LD50 oral in rat: 707uL/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 10.8% (22 of 203) of reports.DangerH302+H312 (22.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 203 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Silane, triethoxy(3-isocyanatopropyl)-Silane, triethoxy(3-isocyanatopropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, triethoxy(3-isocyanatopropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 01-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16621Silane, triethoxy(3-isocyanatopropyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Other safety information | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazards summary | A severe eye and moderate skin irritantCauses irritability, acute pulmonary edema, and dermatitis in dermal lethal-dose studies of rabbitsCauses conjunctival irritation, focal lung fibrosis, and hemorrhage in inhalation lethal-concentration studies of ratsCauses somnolence, dyspnea, and other GI changes in oral lethal-dose studies of rats[RTECS] Causes burns and lachrymationMay cause respiratory sensitizationInhalation may cause corrosive injuries to upper respiratory tract and lungsHighly toxic by inhalationHarmful by ingestion and skin absorptionTargets the liver and nerves[Sigma-Aldrich MSDS] |
Applications & Uses
Description
3-isocyanatepropyltriethoxysilane is an isocyanate functional silane. It is used for the functionalization of numerous compounds with active hydrogen atoms. It hydrolyzes in the presence of moisture to form silanols, which can react with themselves to produce siloxanes. 3-isocyanatepropyltriethoxysilane is mainly applied in these aspects: As crosslinkers for one part moisture curable urethane adhesives, sealants and coatings. As adhesion promoters for one part moisture curable and two part reactive urethane systems. As adhesion promoters for silicone sealants or coatings, to enhance adhesion to organic substrates with active hydrogen atoms. It can provide good wet adhesion to glass, metal and other inorganic substrates, and can provide good thermal, chemical and UV stable performance. It hydrolyzes slower than SiSiB® PC2710, SiSiB® PC2720 is better for applications requring greater open time or enhanced shelf stability.
Uses
3-Isocyanatopropyltriethoxysilane is used in preparation of antistatic adhesive and liquid crystal display device.